4-(4-methoxyphenyl)-5-nitro-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-3-carbonitrile

Systemtic Name: 4-(4-methoxyphenyl)-5-nitro-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-3-carbonitrile Openeye Name: 4-(4-methoxyphenyl)-5-nitro-2-oxido-4,5-dihydroisoxazol-2-ium-3-carbonitrile CAS Name: 4-(4-methoxyphenyl)-5-nitro-2-oxido-4,5-dihydroisoxazol-2-ium-3-carbonitrile IUPAC Name: 4-(4-methoxyphenyl)-5-nitro-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carbonitrile Traditional Name: 4-(4-methoxyphenyl)-5-nitro-2-oxido-2-isoxazolin-2-ium-3-carbonitrile Formula: C11H9N3O5 MolecularWeight: 263.20626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(O[N+](=C2C#N)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2C(O[N+](=C2C#N)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O5/c1-18-8-4-2-7(3-5-8)10-9(6-12)14(17)19-11(10)13(15)16/h2-5,10-11H,1H3